2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide

C15H26N2O3 — CID 164604789

IUPAC2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC12CCC(CC1)C2
InChIInChI=1S/C15H26N2O3/c1-10(13(14(19)16-3)17-11(2)18)20-9-15-6-4-12(8-15)5-7-15/h10,12-13H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQRXTVDXYFNBSSV-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.22
Rot. Bonds6

About 2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide

2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide (PubChem CID 164604789) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide
PubChem CID164604789
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC12CCC(CC1)C2
InChIInChI=1S/C15H26N2O3/c1-10(13(14(19)16-3)17-11(2)18)20-9-15-6-4-12(8-15)5-7-15/h10,12-13H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQRXTVDXYFNBSSV-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide?
The IUPAC name of 2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide (CID 164604789) is 2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide.
What is the SMILES notation for 2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide?
The canonical SMILES for 2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide is CNC(=O)C(NC(C)=O)C(C)OCC12CCC(CC1)C2.
What is the InChIKey of 2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide?
The InChIKey is QRXTVDXYFNBSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(13(14(19)16-3)17-11(2)18)20-9-15-6-4-12(8-15)5-7-15/h10,12-13H,4-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide?
2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide has a molecular weight of 282.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide is sourced from PubChem (CID 164604789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).